(4-Bromophenyl)(4-nitrophenyl)sulfane
Basic information
- CAS
21969-12-0- Standard SMILES
O=[N+]([O-])c1ccc(Sc2ccc(Br)cc2)cc1- InChIKey
XWPBPDJTKDECOY-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO2S
- Average molar mass
- 310.17 g/mol
- Monoisotopic mass
- 308.94591
Names & identifiers
- Preferred name
- (4-Bromophenyl)(4-nitrophenyl)sulfane
- IUPAC
- 1-(4-bromophenyl)sulfanyl-4-nitrobenzene
- English name
- 1-[(4-Bromophenyl)sulfanyl]-4-nitrobenzene
- Molecular formula
- C12H8BrNO2S
- Molecular weight
- 310.17
Names & synonyms
(4-Bromophenyl)(4-nitrophenyl)sulfane21969-12-01-[(4-bromophenyl)sulfanyl]-4-nitrobenzene1-(4-bromophenyl)sulfanyl-4-nitrobenzeneC12H8BrNO2SMFCD001723271-bromo-4-[(4-nitrophenyl)sulfanyl]benzeneNSC149667SCHEMBL163364DTXSID50302208AKOS0032355688G-348S
Show more names
4-BROMOPHENYL 4-NITROPHENYL SULFIDEBenzene,1-bromo-4-[(4-nitrophenyl)thio]-
NSC-149667SY1132731-(4-bromophenyl)sulfanyl-4-nitro-benzeneDB-160773CS-01574021-[(4-Bromophenyl)sulphanyl]-4-nitrobenzeneF11387F403399
Database identifiers
- CAS
21969-12-0- PubChem CID
- 288462
- DTXSID
DTXSID50302208- Nikkaji
- J3.519.352I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 92 · 92-94 °C
- Boiling point
- 452.2 · 452.2±30.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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